HRID1224858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：COc1ccc2c(c1)CCC1CCNC(=O)C(CC(C)NC(C)C)=C21

HCID12832410

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCC1CCNC(=O)C(CC(C)N(Cc3ccccc3)C(C)C)=C21

HCID12832423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1311e4ffb0f74c62babadf7ca875bdab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:41][CH2:42][OH:43].[CH:2]([CH3:3])([CH3:4])[NH:5][CH:6]([CH2:7][C:8]1=[C:14]2[CH:13]([CH2:12][CH2:11][NH:10][C:9]1=[O:25])[CH2:22][CH2:21][c:20]1[c:15]2[cH:16][cH:17][c:18]([O:23][CH3:24])[cH:19]1)[CH3:26].[ClH:1].[K+:31].[K+:32]>>[CH:2]([CH3:3])([CH3:4])[N:5]([CH:6]([CH2:7][C:8]1=[C:14]2[CH:13]([CH2:12][CH2:11][NH:10][C:9]1=[O:25])[CH2:22][CH2:21][c:20]1[c:15]2[cH:16][cH:17][c:18]([O:23][CH3:24])[cH:19]1)[CH3:26])[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1